5-[[[4-(2-chlorophenyl)sulfinylphenyl]-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 5-[[[4-(2-chlorophenyl)sulfinylphenyl]-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 5-[[4-(2-chlorophenyl)sulfinyl-N-prop-2-ynyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 5-[[4-(2-chlorophenyl)sulfinyl-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 5-[[4-(2-chlorophenyl)sulfinyl-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 5-[[4-(2-chlorophenyl)sulfinyl-N-propargyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one Formula: C25H20ClN3O2S MolecularWeight: 461.9632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(C=CC=C2N1)CN(CC#C)C3=CC=C(C=C3)S(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=NC(=O)C2=C(C=CC=C2N1)CN(CC#C)C3=CC=C(C=C3)S(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H20ClN3O2S/c1-3-15-29(16-18-7-6-9-22-24(18)25(30)28-17(2)27-22)19-11-13-20(14-12-19)32(31)23-10-5-4-8-21(23)26/h1,4-14H,15-16H2,2H3,(H,27,28,30)